CC(C)[C@@H](/C=C/c1ccccn1)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cncn1C(=O)OC(C)(C)C)NC(=O)[C@@H](CC(=O)C(C)(C)C)Cc1ccccc1
SMILES: CC(C)[C@@H](/C=C/c1ccccn1)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cncn1C(=O)OC(C)(C)C)NC(=O)[C@@H](CC(=O)C(C)(C)C)Cc1ccccc1

Molecular Processing

Molecular formula
C47H67N5O6
Molecular weight
798.08
Exact mass
797.5091
XLogP
8.14
TPSA
152.51
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
18
Heavy atoms
58
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.574
Molar refractivity
227.55

Supplementary Information

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